Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNDNEKRVLREIYNHHNISRTQISKNLEINKATISSILNKLKYKSLVNEVGEGDSTKSGGRKPILLKVNHLYGYFISLDLTYSSVEVMYNYFDGNVIKHESYDLPDEKVSSILSIIKKHIDIQEKLDTYNGLL----GVSVSIHGVVDNEQHVTY-LPFHETEGISIAKKIKEITNVPVVVENEANLSALYERNFNHNLSYNNLIALSIHKGIGAGLIINNQLYRGANGEAGEIGKTLVSKVSDNVEI--FHKIEDIFSQEALLHNLSNQLN----------EKMTLSKLIQFYNEKNPVVVEEMEQFINKIAVLIHNLNTQFNPNAIYINCPLFNEM-----PEILEAIKNQFKQYSRNEIQIKLTSNVKFATLLGGTLAIIQKVLQINDIYLDIKA |
1Z05 Chain:A ((40-412)) | ---NAGRVYKLIDQKGPISRIDLSKESELAPASITKITRELIDAHLIHETTVQEAI-SRGRPAVGLQTNNLGWQFLSMRLGRGYLTIALHELGGEVLIDTKIDIHEIDQDDVLA--RLLFEIEEFFQTYAAQLDRVTSIAITLPGLVNSEQGIVLQMPHYNVKNLALGPEIYKATGLPVFVANDTRAWALAEKLFGHSQDVDNSVLISIHHGLGAGIVLDGRVLQGRHGNIGELGHIQIDPQGKRCHCGNYGCLETVASSQAIRDQVTARIQAGEPSCLATVEEISIEDICAAAADGDPLAVDVIQQLGRYLGAAIAIVINLFNPEKILIG-GVINQAKSILYPSIEQCIREQSLPVYHQDLKLVESRFYKQATMPGAAL------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1Z05.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156509 for 2819 contacts (-55.5/contact) +
2D Compatibility (PS) -37190 + (NN) -9478 + (LL) 2660
1D Compatibility (HY) -23600 + (ID) 4300
Total energy: -228417.0 ( -81.03 by residue)
QMean score : 0.433
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